use tree colors in fit result for sub-funcs #253

Merged
dominik merged 2 commits from 201-colors-partial-fits into master 2024-02-27 15:36:15 +00:00
3 changed files with 50 additions and 29 deletions
Showing only changes of commit 4904618467 - Show all commits

View File

@ -1,6 +1,6 @@
from math import isnan from math import isnan
from pyqtgraph import mkBrush, mkPen from pyqtgraph import mkBrush, mkPen, mkColor
from numpy import abs as np_abs, isfinite as np_isfinite from numpy import abs as np_abs, isfinite as np_isfinite
from nmreval.utils.text import convert from nmreval.utils.text import convert
@ -16,7 +16,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
closed = QtCore.pyqtSignal(dict, list, str, bool, bool, list) closed = QtCore.pyqtSignal(dict, list, str, bool, bool, list)
redoFit = QtCore.pyqtSignal(dict) redoFit = QtCore.pyqtSignal(dict)
def __init__(self, results: list, management, parent=None): def __init__(self, results: list, sub_colors: dict, management, parent=None):
super().__init__(parent=parent) super().__init__(parent=parent)
self.setupUi(self) self.setupUi(self)
@ -34,6 +34,7 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
self._results = {} self._results = {}
self.graph_opts = {} self.graph_opts = {}
self.last_idx = None self.last_idx = None
self.func_colors = sub_colors
self.fit_plot = self.graphicsView.addPlot(row=1, col=0, title='Fit') self.fit_plot = self.graphicsView.addPlot(row=1, col=0, title='Fit')
self.resid_plot = self.graphicsView.addPlot(row=0, col=0, title='Residual') self.resid_plot = self.graphicsView.addPlot(row=0, col=0, title='Residual')
@ -45,21 +46,29 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
self.graphicsView.ci.layout.setRowStretchFactor(0, 1) self.graphicsView.ci.layout.setRowStretchFactor(0, 1)
self.graphicsView.ci.layout.setRowStretchFactor(1, 2) self.graphicsView.ci.layout.setRowStretchFactor(1, 2)
self.resid_graph = PlotItem(x=[], y=[], self.resid_graph = PlotItem(
symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)), x=[], y=[],
pen=None) symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
self.resid_graph_imag = PlotItem(x=[], y=[], pen=None
symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)), )
pen=None) self.resid_graph_imag = PlotItem(
x=[], y=[],
symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
pen=None
)
self.resid_plot.addItem(self.resid_graph) self.resid_plot.addItem(self.resid_graph)
self.resid_plot.addItem(self.resid_graph_imag) self.resid_plot.addItem(self.resid_graph_imag)
self.data_graph = PlotItem(x=[], y=[], self.data_graph = PlotItem(
symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)), x=[], y=[],
pen=None) symbol='o', symbolPen=None, symbolBrush=mkBrush(color=(31, 119, 180)),
self.data_graph_imag = PlotItem(x=[], y=[], pen=None
symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)), )
pen=None) self.data_graph_imag = PlotItem(
x=[], y=[],
symbol='s', symbolPen=None, symbolBrush=mkBrush(color=(255, 127, 14)),
pen=None
)
self.fit_plot.addItem(self.data_graph) self.fit_plot.addItem(self.data_graph)
self.fit_plot.addItem(self.data_graph_imag) self.fit_plot.addItem(self.data_graph_imag)
@ -82,13 +91,14 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
self.set_results(results) self.set_results(results)
def __call__(self, results: list): def __call__(self, results: list, sub_colors: dict):
self._previous_fits = {} self._previous_fits = {}
self.sets_comboBox.blockSignals(True) self.sets_comboBox.blockSignals(True)
self.sets_comboBox.clear() self.sets_comboBox.clear()
self.sets_comboBox.blockSignals(False) self.sets_comboBox.blockSignals(False)
self._results = {} self._results = {}
self._opts = {} self._opts = {}
self.func_colors = sub_colors
self.set_results(results) self.set_results(results)
@ -190,10 +200,11 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
self.fit_graph.setData(x=res.x, y=res.y.real) self.fit_graph.setData(x=res.x, y=res.y.real)
self.fit_graph_imag.setData(x=res.x, y=res.y.imag) self.fit_graph_imag.setData(x=res.x, y=res.y.imag)
for i, f in enumerate(sub_funcs): for f, c in zip(sub_funcs, self.func_colors[idx]):
item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': i, 'style': 2})) col = mkColor(*[c_i*255 for c_i in c])
item = PlotItem(x=f.x, y=f.y.real, pen=mkPen({'color': col, 'style': 2}))
self.fit_plot.addItem(item) self.fit_plot.addItem(item)
item = PlotItem(x=f.x, y=f.y.imag, pen=mkPen({'color': i, 'style': 2})) item = PlotItem(x=f.x, y=f.y.imag, pen=mkPen({'color': col, 'style': 2}))
self.fit_plot.addItem(item) self.fit_plot.addItem(item)
else: else:
@ -202,8 +213,8 @@ class QFitResult(QtWidgets.QDialog, Ui_Dialog):
self.fit_graph.setData(x=res.x, y=res.y) self.fit_graph.setData(x=res.x, y=res.y)
self.fit_graph_imag.setData(x=[], y=[]) self.fit_graph_imag.setData(x=[], y=[])
for i, f in enumerate(sub_funcs): for f, c in zip(sub_funcs, self.func_colors[idx]):
item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': i, 'style': 2})) item = PlotItem(x=f.x, y=f.y, pen=mkPen({'color': mkColor(*[c_i*255 for c_i in c]), 'style': 2}))
self.fit_plot.addItem(item) self.fit_plot.addItem(item)
self._plot_residuals(idx) self._plot_residuals(idx)

View File

@ -946,19 +946,19 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
for item in self.fit_dialog.preview_lines: for item in self.fit_dialog.preview_lines:
g.add_external(item) g.add_external(item)
@QtCore.pyqtSlot(list) @QtCore.pyqtSlot(list, dict)
def show_fit_results(self, results: list): def show_fit_results(self, results: list, sub_colors: dict[str, tuple[float, float, float]]):
self.fit_dialog.fit_button.setEnabled(True) self.fit_dialog.fit_button.setEnabled(True)
self.fit_timer.stop() self.fit_timer.stop()
self.status.setText('') self.status.setText('')
if results: if results:
if self.fitresult_dialog is None: if self.fitresult_dialog is None:
self.fitresult_dialog = QFitResult(results, self.management, parent=self) self.fitresult_dialog = QFitResult(results, sub_colors, self.management, parent=self)
self.fitresult_dialog.add_graphs(self.management.graphs.list()) self.fitresult_dialog.add_graphs(self.management.graphs.list())
self.fitresult_dialog.closed.connect(self.accepts_fit) self.fitresult_dialog.closed.connect(self.accepts_fit)
self.fitresult_dialog.redoFit.connect(self.management.redo_fits) self.fitresult_dialog.redoFit.connect(self.management.redo_fits)
else: else:
self.fitresult_dialog(results) self.fitresult_dialog(results, sub_colors)
self.fitresult_dialog.add_graphs(self.management.graphs.list()) self.fitresult_dialog.add_graphs(self.management.graphs.list())
self.fitresult_dialog.show() self.fitresult_dialog.show()

View File

@ -85,7 +85,7 @@ class UpperManagement(QtCore.QObject):
newData = QtCore.pyqtSignal([list, str], [list, str, bool]) newData = QtCore.pyqtSignal([list, str], [list, str, bool])
deleteData = QtCore.pyqtSignal(list) deleteData = QtCore.pyqtSignal(list)
dataChanged = QtCore.pyqtSignal(str) dataChanged = QtCore.pyqtSignal(str)
fitFinished = QtCore.pyqtSignal(list) fitFinished = QtCore.pyqtSignal(list, dict)
stopFit = QtCore.pyqtSignal() stopFit = QtCore.pyqtSignal()
properties_collected = QtCore.pyqtSignal(dict) properties_collected = QtCore.pyqtSignal(dict)
unset_state = QtCore.pyqtSignal(list) unset_state = QtCore.pyqtSignal(list)
@ -569,13 +569,23 @@ class UpperManagement(QtCore.QObject):
def end_fit(self, result: list, success: bool): def end_fit(self, result: list, success: bool):
if success: if success:
logger.info('Successful fit') logger.info('Successful fit')
self.fitFinished.emit(result)
sub_colors = {}
for k, v in self.__fit_options[0].items():
sub_colors.update({set_id: v['color'] for set_id in v['data_parameter']})
self.fitFinished.emit(result, sub_colors)
else: else:
e = result[0] e = result[0]
logger.exception(e, exc_info=True) logger.exception(e, exc_info=True)
QtWidgets.QMessageBox.warning(QtWidgets.QWidget(), 'Fit failed', QtWidgets.QMessageBox.warning(
f'Fit kaput with exception: \n\n{e!r}') QtWidgets.QWidget(),
self.fitFinished.emit([]) 'Fit failed',
f'Fit kaput with exception: \n\n{e!r}'
)
self.fitFinished.emit([], {})
self._fit_active = False self._fit_active = False
@QtCore.pyqtSlot(dict) @QtCore.pyqtSlot(dict)